tert-butyl 3-[[6-[(2-phenyl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]oxymethyl]azetidine-1-carboxylate

C24H27N5O4S — CID 59110535

IUPACtert-butyl 3-[[6-[(2-phenyl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]oxymethyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(COc2cccc(NC(=O)Nc3csc(-c4ccccc4)n3)n2)C1
InChIInChI=1S/C24H27N5O4S/c1-24(2,3)33-23(31)29-12-16(13-29)14-32-20-11-7-10-18(25-20)27-22(30)28-19-15-34-21(26-19)17-8-5-4-6-9-17/h4-11,15-16H,12-14H2,1-3H3,(H2,25,27,28,30)
InChIKeySJRMSCZQLSLUEW-UHFFFAOYSA-N
MW481.58 g/mol
LogP5.09
Rot. Bonds6

About tert-butyl 3-[[6-[(2-phenyl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]oxymethyl]azetidine-1-carboxylate

tert-butyl 3-[[6-[(2-phenyl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]oxymethyl]azetidine-1-carboxylate (PubChem CID 59110535) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is tert-butyl 3-[[6-[(2-phenyl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]oxymethyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[6-[(2-phenyl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]oxymethyl]azetidine-1-carboxylate
PubChem CID59110535
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC Nametert-butyl 3-[[6-[(2-phenyl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]oxymethyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(COc2cccc(NC(=O)Nc3csc(-c4ccccc4)n3)n2)C1
InChIInChI=1S/C24H27N5O4S/c1-24(2,3)33-23(31)29-12-16(13-29)14-32-20-11-7-10-18(25-20)27-22(30)28-19-15-34-21(26-19)17-8-5-4-6-9-17/h4-11,15-16H,12-14H2,1-3H3,(H2,25,27,28,30)
InChIKeySJRMSCZQLSLUEW-UHFFFAOYSA-N
XLogP5.09
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.58
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-[[6-[(2-phenyl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]oxymethyl]azetidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[[6-[(2-phenyl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 59110576
1-(2-phenyl-1,3-thiazol-4-yl)-3-[6-(2-piperidin-4-ylethoxy)-2-pyridinyl]urea
CID 18772126
tert-butyl 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylate
CID 18771787
tert-butyl 3-[[N'-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]carbamimidoyl]amino]azetidine-1-carboxylate
CID 109466088
1-[2-(2-aminopyrimidin-5-yl)-1,3-thiazol-4-yl]-3-[6-[[(2R)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]urea
CID 71207269
tert-butyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazine-1-carboxylate
CID 31121816
tert-butyl 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
CID 46684680
tert-butyl 3-[[3-(2-bromophenyl)phenoxy]methyl]azetidine-1-carboxylate
CID 166449836
tert-butyl 3-[[4-[1-(phenylmethoxycarbonylamino)ethyl]phenoxy]methyl]azetidine-1-carboxylate
CID 126540083
tert-butyl 3-[(benzylamino)methyl]azetidine-1-carboxylate
CID 53415255
tert-butyl (3S)-3-[[2-[3-amino-4-(2,6-dimethylmorpholin-4-yl)phenyl]-1,3-thiazol-4-yl]carbamoylamino]piperidine-1-carboxylate
CID 153401139
tert-butyl 3-[(2-amino-6-fluorophenoxy)methyl]azetidine-1-carboxylate
CID 155289011

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[6-[(2-phenyl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]oxymethyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[6-[(2-phenyl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]oxymethyl]azetidine-1-carboxylate (CID 59110535) is tert-butyl 3-[[6-[(2-phenyl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]oxymethyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[6-[(2-phenyl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]oxymethyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[6-[(2-phenyl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]oxymethyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(COc2cccc(NC(=O)Nc3csc(-c4ccccc4)n3)n2)C1.
What is the InChIKey of tert-butyl 3-[[6-[(2-phenyl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]oxymethyl]azetidine-1-carboxylate?
The InChIKey is SJRMSCZQLSLUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-24(2,3)33-23(31)29-12-16(13-29)14-32-20-11-7-10-18(25-20)27-22(30)28-19-15-34-21(26-19)17-8-5-4-6-9-17/h4-11,15-16H,12-14H2,1-3H3,(H2,25,27,28,30).
What are the key properties of tert-butyl 3-[[6-[(2-phenyl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]oxymethyl]azetidine-1-carboxylate?
tert-butyl 3-[[6-[(2-phenyl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]oxymethyl]azetidine-1-carboxylate has a molecular weight of 481.58 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[6-[(2-phenyl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]oxymethyl]azetidine-1-carboxylate is sourced from PubChem (CID 59110535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).